Carbamodithioic acid, N,N-dimethyl-, compd. with N,N-diethylethanamine (1:1)
TL;DR: Carbamodithioic acid, N,N-dimethyl-, compd. with N,N-diethylethanamine (1:1) (CAS 65859-44-1) is a chemical compound with molecular formula C9H22N2S2 and molecular weight 222.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-diethylethanamine;dimethylcarbamodithioic acid
Also Known As: Triethylammonium dimethyldithiocarbamate, dimethylaminomethanedithioic acid, Carbamodithioic acid, dimethyl-, compd. with N,N-diethylethanamine (1:1), N,N-diethylethanamine,dimethylcarbamodithioic acid, N,N-diethylethanamine; dimethylcarbamodithioic acid
| Molecular Formula | C9H22N2S2 |
|---|---|
| Molecular Weight | 222.12 g/mol |
| LogP | 2.1108 |
| Topological Polar Surface Area | 39.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 222.12244 |
| Heavy Atoms | 13 |
| Complexity | 85.0 |
Chemical Identifiers
| CAS Number | 65859-44-1 |
|---|---|
| SMILES | CCN(CC)CC.CN(C)C(=S)S |
| InChIKey | BKJCFLUMYJMIHC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Carbamodithioic acid, N,N-dimethyl-, compd. with N,N-diethylethanamine (1:1) (CAS 65859-44-1), with molecular formula C9H22N2S2 and molecular weight 222.12 g/mol. IUPAC: N,N-diethylethanamine;dimethylcarbamodithioic acid.
Chemical Property Profile of Carbamodithioic acid, N,N-dimethyl-, compd. with N,N-diethylethanamine (1:1)
Property Insights of Carbamodithioic acid, N,N-dimethyl-, compd. with N,N-diethylethanamine (1:1)
The XLogP value of 2.1108 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbamodithioic acid, N,N-dimethyl-, compd. with N,N-diethylethanamine (1:1). With a topological polar surface area (TPSA) of 39.6 Ų, Carbamodithioic acid, N,N-dimethyl-, compd. with N,N-diethylethanamine (1:1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbamodithioic acid, N,N-dimethyl-, compd. with N,N-diethylethanamine (1:1) has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Carbamodithioic acid, N,N-dimethyl-, compd. with N,N-diethylethanamine (1:1)?
The CAS number of Carbamodithioic acid, N,N-dimethyl-, compd. with N,N-diethylethanamine (1:1) is 65859-44-1.
What is the molecular formula of Carbamodithioic acid, N,N-dimethyl-, compd. with N,N-diethylethanamine (1:1)?
The molecular formula of Carbamodithioic acid, N,N-dimethyl-, compd. with N,N-diethylethanamine (1:1) is C9H22N2S2.
What is the molecular weight of Carbamodithioic acid, N,N-dimethyl-, compd. with N,N-diethylethanamine (1:1)?
The molecular weight of Carbamodithioic acid, N,N-dimethyl-, compd. with N,N-diethylethanamine (1:1) is 222.12 g/mol.
Where can I buy Carbamodithioic acid, N,N-dimethyl-, compd. with N,N-diethylethanamine (1:1)?
You can request a quote for Carbamodithioic acid, N,N-dimethyl-, compd. with N,N-diethylethanamine (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbamodithioic acid, N,N-dimethyl-, compd. with N,N-diethylethanamine (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Carbamodithioic acid, N,N-dimethyl-, compd. with N,N-diethylethanamine (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.